N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C20H23ClN4O — CID 119265093

IUPACN-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCCCn1c(NC(=O)C2Cc3ccccc3CN2)nc2ccccc21.Cl
InChIInChI=1S/C20H22N4O.ClH/c1-2-11-24-18-10-6-5-9-16(18)22-20(24)23-19(25)17-12-14-7-3-4-8-15(14)13-21-17;/h3-10,17,21H,2,11-13H2,1H3,(H,22,23,25);1H
InChIKeyUVAMDVWHOBEXRL-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.52
Rot. Bonds4

About N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 119265093) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID119265093
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCCCn1c(NC(=O)C2Cc3ccccc3CN2)nc2ccccc21.Cl
InChIInChI=1S/C20H22N4O.ClH/c1-2-11-24-18-10-6-5-9-16(18)22-20(24)23-19(25)17-12-14-7-3-4-8-15(14)13-21-17;/h3-10,17,21H,2,11-13H2,1H3,(H,22,23,25);1H
InChIKeyUVAMDVWHOBEXRL-UHFFFAOYSA-N
XLogP3.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
(3S)-1-oxo-N-(1-propylbenzimidazol-2-yl)-3,4-dihydroisochromene-3-carboxamide
CID 25324880
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154914443
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
(2S)-1-N-propan-2-yl-2-N-(1-propylbenzimidazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 136580553
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
4-acetyl-N-(1-propylbenzimidazol-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42894812
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010

Frequently Asked Questions

What is the IUPAC name of N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 119265093) is N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is CCCn1c(NC(=O)C2Cc3ccccc3CN2)nc2ccccc21.Cl.
What is the InChIKey of N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is UVAMDVWHOBEXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.ClH/c1-2-11-24-18-10-6-5-9-16(18)22-20(24)23-19(25)17-12-14-7-3-4-8-15(14)13-21-17;/h3-10,17,21H,2,11-13H2,1H3,(H,22,23,25);1H.
What are the key properties of N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119265093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).