(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C18H24N4O3 — CID 100664804

IUPAC(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCCOc1ccc(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)cn1
InChIInChI=1S/C18H24N4O3/c1-12-21-15-5-4-14(9-16(15)22-12)18(23)20-11-13-3-6-17(19-10-13)25-8-7-24-2/h3,6,10,14H,4-5,7-9,11H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyQKTFKMLEMARCBI-AWEZNQCLSA-N
MW344.42 g/mol
LogP1.56
Rot. Bonds7

About (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100664804) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID100664804
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCOCCOc1ccc(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)cn1
InChIInChI=1S/C18H24N4O3/c1-12-21-15-5-4-14(9-16(15)22-12)18(23)20-11-13-3-6-17(19-10-13)25-8-7-24-2/h3,6,10,14H,4-5,7-9,11H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyQKTFKMLEMARCBI-AWEZNQCLSA-N
XLogP1.56
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640625
(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662008
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628376
2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628463
N-[(3-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640514
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55744255
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640645
N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640349
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 154770748

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100664804) is (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is COCCOc1ccc(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)cn1.
What is the InChIKey of (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is QKTFKMLEMARCBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-21-15-5-4-14(9-16(15)22-12)18(23)20-11-13-3-6-17(19-10-13)25-8-7-24-2/h3,6,10,14H,4-5,7-9,11H2,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100664804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).