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

C18H26Cl2N4O — CID 119834520

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CC2CCCCC2N1)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-11(17-21-14-8-4-5-9-15(14)22-17)19-18(23)16-10-12-6-2-3-7-13(12)20-16;;/h4-5,8-9,11-13,16,20H,2-3,6-7,10H2,1H3,(H,19,23)(H,21,22);2*1H
InChIKeyJZLXNFKOFAMTRN-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.50
Rot. Bonds3

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 119834520) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
PubChem CID119834520
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CC2CCCCC2N1)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-11(17-21-14-8-4-5-9-15(14)22-17)19-18(23)16-10-12-6-2-3-7-13(12)20-16;;/h4-5,8-9,11-13,16,20H,2-3,6-7,10H2,1H3,(H,19,23)(H,21,22);2*1H
InChIKeyJZLXNFKOFAMTRN-UHFFFAOYSA-N
XLogP3.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[1-(2,6-difluorophenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119285511
N-[1-(4-methoxyphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119280185
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 81449437
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(5-methylfuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43703395
(2S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331098
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331095
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (CID 119834520) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is CC(NC(=O)C1CC2CCCCC2N1)c1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is JZLXNFKOFAMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-11(17-21-14-8-4-5-9-15(14)22-17)19-18(23)16-10-12-6-2-3-7-13(12)20-16;;/h4-5,8-9,11-13,16,20H,2-3,6-7,10H2,1H3,(H,19,23)(H,21,22);2*1H.
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119834520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).