N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C19H25N3O — CID 90640295

IUPACN-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)N(Cc1ccccc1)C(C)C)CC2
InChIInChI=1S/C19H25N3O/c1-13(2)22(12-15-7-5-4-6-8-15)19(23)16-9-10-17-18(11-16)21-14(3)20-17/h4-8,13,16H,9-12H2,1-3H3,(H,20,21)
InChIKeyDNAHECVYFHXDMK-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.26
Rot. Bonds4

About N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640295) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640295
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)N(Cc1ccccc1)C(C)C)CC2
InChIInChI=1S/C19H25N3O/c1-13(2)22(12-15-7-5-4-6-8-15)19(23)16-9-10-17-18(11-16)21-14(3)20-17/h4-8,13,16H,9-12H2,1-3H3,(H,20,21)
InChIKeyDNAHECVYFHXDMK-UHFFFAOYSA-N
XLogP3.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(5R)-N-[(1S)-1,3-diphenylpropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 97347656
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2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
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CID 100664205
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N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640295) is N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)N(Cc1ccccc1)C(C)C)CC2.
What is the InChIKey of N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is DNAHECVYFHXDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)22(12-15-7-5-4-6-8-15)19(23)16-9-10-17-18(11-16)21-14(3)20-17/h4-8,13,16H,9-12H2,1-3H3,(H,20,21).
What are the key properties of N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).