(5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C16H23N5O — CID 129490170

IUPAC(5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1[nH]ncc1CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1
InChIInChI=1S/C16H23N5O/c1-9(2)15-19-13-5-4-11(6-14(13)20-15)16(22)17-7-12-8-18-21-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyUCIHKXLUBDHVEU-NSHDSACASA-N
MW301.39 g/mol
LogP1.99
Rot. Bonds4

About (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 129490170) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID129490170
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1[nH]ncc1CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1
InChIInChI=1S/C16H23N5O/c1-9(2)15-19-13-5-4-11(6-14(13)20-15)16(22)17-7-12-8-18-21-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyUCIHKXLUBDHVEU-NSHDSACASA-N
XLogP1.99
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129489325
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766749
(5S)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129489236
(5S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129488970
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739536
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
N-[(2-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640377
1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 129490053
2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640625
2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 61022270
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 129490170) is (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1[nH]ncc1CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1.
What is the InChIKey of (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is UCIHKXLUBDHVEU-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N5O/c1-9(2)15-19-13-5-4-11(6-14(13)20-15)16(22)17-7-12-8-18-21-10(12)3/h8-9,11H,4-7H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 129490170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).