N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C12H19N3O2 — CID 90640349

IUPACN-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCCCO)CC2
InChIInChI=1S/C12H19N3O2/c1-8-14-10-4-3-9(7-11(10)15-8)12(17)13-5-2-6-16/h9,16H,2-7H2,1H3,(H,13,17)(H,14,15)
InChIKeyGBWDNTYMALOILZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.32
Rot. Bonds4

About N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640349) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640349
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NCCCO)CC2
InChIInChI=1S/C12H19N3O2/c1-8-14-10-4-3-9(7-11(10)15-8)12(17)13-5-2-6-16/h9,16H,2-7H2,1H3,(H,13,17)(H,14,15)
InChIKeyGBWDNTYMALOILZ-UHFFFAOYSA-N
XLogP0.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640337
N-(cyclohexylmethyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640525
(5R)-2-methyl-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664205
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
(5S)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663312
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl chloride
CID 10703139
2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
N-[(2-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640377
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 154770748
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640349) is N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NCCCO)CC2.
What is the InChIKey of N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is GBWDNTYMALOILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-14-10-4-3-9(7-11(10)15-8)12(17)13-5-2-6-16/h9,16H,2-7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).