1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide

C28H43N5O — CID 23629724

IUPAC1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
SMILESCCCN1CCCC(N(C)C(=O)c2ccc3c(c2)nc(N2CCCCC2C)n3CC2CC2)CC1
InChIInChI=1S/C28H43N5O/c1-4-15-31-16-7-9-24(14-18-31)30(3)27(34)23-12-13-26-25(19-23)29-28(33(26)20-22-10-11-22)32-17-6-5-8-21(32)2/h12-13,19,21-22,24H,4-11,14-18,20H2,1-3H3
InChIKeyUDDXLAKCHSEYPT-UHFFFAOYSA-N
MW465.69 g/mol
LogP5.16
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide

1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide (PubChem CID 23629724) has the molecular formula C28H43N5O and a molecular weight of 465.69 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
PubChem CID23629724
Molecular FormulaC28H43N5O
Molecular Weight465.69 g/mol
Exact Mass465.35
IUPAC Name1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
SMILESCCCN1CCCC(N(C)C(=O)c2ccc3c(c2)nc(N2CCCCC2C)n3CC2CC2)CC1
InChIInChI=1S/C28H43N5O/c1-4-15-31-16-7-9-24(14-18-31)30(3)27(34)23-12-13-26-25(19-23)29-28(33(26)20-22-10-11-22)32-17-6-5-8-21(32)2/h12-13,19,21-22,24H,4-11,14-18,20H2,1-3H3
InChIKeyUDDXLAKCHSEYPT-UHFFFAOYSA-N
XLogP5.16
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.69
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide (CID 23629724) is 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide is CCCN1CCCC(N(C)C(=O)c2ccc3c(c2)nc(N2CCCCC2C)n3CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide?
The InChIKey is UDDXLAKCHSEYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5O/c1-4-15-31-16-7-9-24(14-18-31)30(3)27(34)23-12-13-26-25(19-23)29-28(33(26)20-22-10-11-22)32-17-6-5-8-21(32)2/h12-13,19,21-22,24H,4-11,14-18,20H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide?
1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide has a molecular weight of 465.69 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 23629724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).