N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H26N4O — CID 119835395

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C19H26N4O/c1-13-21-16-8-4-5-9-18(16)23(13)11-10-20-19(24)17-12-14-6-2-3-7-15(14)22-17/h4-5,8-9,14-15,17,22H,2-3,6-7,10-12H2,1H3,(H,20,24)
InChIKeyQOYCBDLRLBCGSV-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119835395) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119835395
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)C1CC2CCCCC2N1
InChIInChI=1S/C19H26N4O/c1-13-21-16-8-4-5-9-18(16)23(13)11-10-20-19(24)17-12-14-6-2-3-7-15(14)22-17/h4-5,8-9,14-15,17,22H,2-3,6-7,10-12H2,1H3,(H,20,24)
InChIKeyQOYCBDLRLBCGSV-UHFFFAOYSA-N
XLogP2.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
(3S)-1-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 31849234
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 18120767
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18120735
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
4-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 66235655
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74648805

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119835395) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is Cc1nc2ccccc2n1CCNC(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is QOYCBDLRLBCGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-21-16-8-4-5-9-18(16)23(13)11-10-20-19(24)17-12-14-6-2-3-7-15(14)22-17/h4-5,8-9,14-15,17,22H,2-3,6-7,10-12H2,1H3,(H,20,24).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119835395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).