N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide

C24H37N5O2 — CID 23630179

IUPACN-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
SMILESCCCN1CCC(N(CCOC)C(=O)c2ccc3c(c2)nc(N2CCCC2)n3C)CC1
InChIInChI=1S/C24H37N5O2/c1-4-11-27-14-9-20(10-15-27)29(16-17-31-3)23(30)19-7-8-22-21(18-19)25-24(26(22)2)28-12-5-6-13-28/h7-8,18,20H,4-6,9-17H2,1-3H3
InChIKeyATIBTTXWSBDZDO-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.14
Rot. Bonds8

About N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide

N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide (PubChem CID 23630179) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
PubChem CID23630179
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC NameN-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
SMILESCCCN1CCC(N(CCOC)C(=O)c2ccc3c(c2)nc(N2CCCC2)n3C)CC1
InChIInChI=1S/C24H37N5O2/c1-4-11-27-14-9-20(10-15-27)29(16-17-31-3)23(30)19-7-8-22-21(18-19)25-24(26(22)2)28-12-5-6-13-28/h7-8,18,20H,4-6,9-17H2,1-3H3
InChIKeyATIBTTXWSBDZDO-UHFFFAOYSA-N
XLogP3.14
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
CID 23630175
N-ethyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 72839994
2-(3-hydroxypiperidin-1-yl)-N-methyl-1-propyl-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
CID 23629722
1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
CID 23629724
N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62175465
2-bromo-4-[cyclopropyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 166289589
2-[3-(ethylcarbamoyl)pyrrolidin-1-yl]-1-methylbenzimidazole-5-carboxylic acid
CID 134704013
1-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzimidazole-5-carboxylic acid
CID 134705630
N-(2-methoxyethyl)-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732014
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N,1-dimethyl-N-(thian-4-yl)benzimidazole-5-carboxamide
CID 72930074
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 24732540

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide (CID 23630179) is N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide is CCCN1CCC(N(CCOC)C(=O)c2ccc3c(c2)nc(N2CCCC2)n3C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide?
The InChIKey is ATIBTTXWSBDZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-4-11-27-14-9-20(10-15-27)29(16-17-31-3)23(30)19-7-8-22-21(18-19)25-24(26(22)2)28-12-5-6-13-28/h7-8,18,20H,4-6,9-17H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide?
N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 23630179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).