1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

C17H26Cl2N4O — CID 119835380

IUPAC1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1nc2ccccc2n1CCNC(=O)C1(CN)CCCC1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-13-20-14-6-2-3-7-15(14)21(13)11-10-19-16(22)17(12-18)8-4-5-9-17;;/h2-3,6-7H,4-5,8-12,18H2,1H3,(H,19,22);2*1H
InChIKeyUUOYOAVEGRXFMS-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.82
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride

1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119835380) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119835380
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCc1nc2ccccc2n1CCNC(=O)C1(CN)CCCC1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-13-20-14-6-2-3-7-15(14)21(13)11-10-19-16(22)17(12-18)8-4-5-9-17;;/h2-3,6-7H,4-5,8-12,18H2,1H3,(H,19,22);2*1H
InChIKeyUUOYOAVEGRXFMS-UHFFFAOYSA-N
XLogP2.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119946260
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643
4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 119835419
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 18120796
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119835380) is 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is Cc1nc2ccccc2n1CCNC(=O)C1(CN)CCCC1.Cl.Cl.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is UUOYOAVEGRXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-13-20-14-6-2-3-7-15(14)21(13)11-10-19-16(22)17(12-18)8-4-5-9-17;;/h2-3,6-7H,4-5,8-12,18H2,1H3,(H,19,22);2*1H.
What are the key properties of 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119835380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).