2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide

C24H30N4O2 — CID 86880650

IUPAC2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C2CCCN2C(=O)NCc2cccc(OC(C)C)c2)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-4-27-21-12-6-5-11-20(21)26-23(27)22-13-8-14-28(22)24(29)25-16-18-9-7-10-19(15-18)30-17(2)3/h5-7,9-12,15,17,22H,4,8,13-14,16H2,1-3H3,(H,25,29)
InChIKeyXMQDKDIMZIQOLT-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.89
Rot. Bonds6

About 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide

2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 86880650) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID86880650
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C2CCCN2C(=O)NCc2cccc(OC(C)C)c2)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-4-27-21-12-6-5-11-20(21)26-23(27)22-13-8-14-28(22)24(29)25-16-18-9-7-10-19(15-18)30-17(2)3/h5-7,9-12,15,17,22H,4,8,13-14,16H2,1-3H3,(H,25,29)
InChIKeyXMQDKDIMZIQOLT-UHFFFAOYSA-N
XLogP4.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95310410
4-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021330
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
(2S)-2-(3,4-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 96997357
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
(2R)-N-[(3-methoxyphenyl)methyl]-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056302
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119872621
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 86880650) is 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide is CCn1c(C2CCCN2C(=O)NCc2cccc(OC(C)C)c2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XMQDKDIMZIQOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-27-21-12-6-5-11-20(21)26-23(27)22-13-8-14-28(22)24(29)25-16-18-9-7-10-19(15-18)30-17(2)3/h5-7,9-12,15,17,22H,4,8,13-14,16H2,1-3H3,(H,25,29).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide?
2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86880650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).