N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide

C19H29N5O2 — CID 143592074

IUPACN-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NCCC(CC)n2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C19H29N5O2/c1-3-15(24-17-8-6-5-7-16(17)22-19(24)26)9-11-21-14-10-12-23(13-14)18(25)20-4-2/h5-8,14-15,21H,3-4,9-13H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyBUZHJBKCCPWIIC-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.06
Rot. Bonds7

About N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide

N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide (PubChem CID 143592074) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide
PubChem CID143592074
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NCCC(CC)n2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C19H29N5O2/c1-3-15(24-17-8-6-5-7-16(17)22-19(24)26)9-11-21-14-10-12-23(13-14)18(25)20-4-2/h5-8,14-15,21H,3-4,9-13H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyBUZHJBKCCPWIIC-UHFFFAOYSA-N
XLogP2.06
TPSA82.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 136577151
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CID 70277464
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
4-[[(2R)-2-amino-2-phenylacetyl]amino]-N-ethylpiperidine-1-carboxamide
CID 56867282
N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 154740001
3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274801
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 128698136
3-[[4-(difluoromethylsulfanyl)phenyl]methylamino]-N-ethylpyrrolidine-1-carboxamide
CID 75519218
N-[(3R)-1-(ethylcarbamoyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97099923
3,3-dimethyl-N-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]butanamide
CID 60565714
(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 97103014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide (CID 143592074) is N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NCCC(CC)n2c(=O)[nH]c3ccccc32)C1.
What is the InChIKey of N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide?
The InChIKey is BUZHJBKCCPWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-15(24-17-8-6-5-7-16(17)22-19(24)26)9-11-21-14-10-12-23(13-14)18(25)20-4-2/h5-8,14-15,21H,3-4,9-13H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide?
N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)pentylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 143592074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).