6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide

C16H19N5O — CID 95554120

IUPAC6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide
SMILESCC[C@H](NC(=O)c1nc2ccc(C)cc2[nH]1)c1ccnn1C
InChIInChI=1S/C16H19N5O/c1-4-11(14-7-8-17-21(14)3)20-16(22)15-18-12-6-5-10(2)9-13(12)19-15/h5-9,11H,4H2,1-3H3,(H,18,19)(H,20,22)/t11-/m0/s1
InChIKeyAYVKDTMYYGIEND-NSHDSACASA-N
MW297.36 g/mol
LogP2.49
Rot. Bonds4

About 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide

6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide (PubChem CID 95554120) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide
PubChem CID95554120
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide
SMILESCC[C@H](NC(=O)c1nc2ccc(C)cc2[nH]1)c1ccnn1C
InChIInChI=1S/C16H19N5O/c1-4-11(14-7-8-17-21(14)3)20-16(22)15-18-12-6-5-10(2)9-13(12)19-15/h5-9,11H,4H2,1-3H3,(H,18,19)(H,20,22)/t11-/m0/s1
InChIKeyAYVKDTMYYGIEND-NSHDSACASA-N
XLogP2.49
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-[(6-methyl-1H-benzimidazole-2-carbonyl)amino]acetic acid
CID 143887823
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-4-oxo-1H-pyridine-2-carboxamide
CID 126436244
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
CID 168980349
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
CID 171915214
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-[1-(2-methylpyrazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91842330
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
CID 119061752
2-(dimethylcarbamoylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91796797
N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126440928

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide (CID 95554120) is 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide is CC[C@H](NC(=O)c1nc2ccc(C)cc2[nH]1)c1ccnn1C.
What is the InChIKey of 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is AYVKDTMYYGIEND-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N5O/c1-4-11(14-7-8-17-21(14)3)20-16(22)15-18-12-6-5-10(2)9-13(12)19-15/h5-9,11H,4H2,1-3H3,(H,18,19)(H,20,22)/t11-/m0/s1.
What are the key properties of 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide?
6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 95554120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).