N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide

C24H30N6O3 — CID 42163323

IUPACN-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide
SMILESCOCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)N3CC[C@H](N(C)C)C3)c21
InChIInChI=1S/C24H30N6O3/c1-16(31)26-17-13-19(24(32)29-10-8-18(15-29)28(2)3)22-21(14-17)27-23(30(22)11-12-33-4)20-7-5-6-9-25-20/h5-7,9,13-14,18H,8,10-12,15H2,1-4H3,(H,26,31)/t18-/m0/s1
InChIKeyRVGXZOVXJKEVHB-SFHVURJKSA-N
MW450.54 g/mol
LogP2.48
Rot. Bonds7

About N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide

N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide (PubChem CID 42163323) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide
PubChem CID42163323
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide
SMILESCOCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)N3CC[C@H](N(C)C)C3)c21
InChIInChI=1S/C24H30N6O3/c1-16(31)26-17-13-19(24(32)29-10-8-18(15-29)28(2)3)22-21(14-17)27-23(30(22)11-12-33-4)20-7-5-6-9-25-20/h5-7,9,13-14,18H,8,10-12,15H2,1-4H3,(H,26,31)/t18-/m0/s1
InChIKeyRVGXZOVXJKEVHB-SFHVURJKSA-N
XLogP2.48
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid
CID 118760384
6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide
CID 42164827
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone
CID 97446982
3-(2-methoxyethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164775
N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide
CID 42471990
N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide
CID 45238330
3-cyano-N-[6-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]benzamide
CID 69105372
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide
CID 26400629
(2-ethoxyphenyl)-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 53191203
(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 95110202
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone
CID 24794840

Frequently Asked Questions

What is the IUPAC name of N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide?
The IUPAC name of N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide (CID 42163323) is N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide?
The canonical SMILES for N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide is COCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)N3CC[C@H](N(C)C)C3)c21.
What is the InChIKey of N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide?
The InChIKey is RVGXZOVXJKEVHB-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-16(31)26-17-13-19(24(32)29-10-8-18(15-29)28(2)3)22-21(14-17)27-23(30(22)11-12-33-4)20-7-5-6-9-25-20/h5-7,9,13-14,18H,8,10-12,15H2,1-4H3,(H,26,31)/t18-/m0/s1.
What are the key properties of N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide?
N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide is sourced from PubChem (CID 42163323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).