N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride

C21H25Cl2N5O2 — CID 119565508

IUPACN-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)CCCC1
InChIInChI=1S/C21H23N5O2.2ClH/c22-12-21(8-1-2-9-21)26-20(28)14-4-3-5-16(10-14)25-19(27)15-6-7-17-18(11-15)24-13-23-17;;/h3-7,10-11,13H,1-2,8-9,12,22H2,(H,23,24)(H,25,27)(H,26,28);2*1H
InChIKeyIUEXVIISEOBPDD-UHFFFAOYSA-N
MW450.37 g/mol
LogP3.66
Rot. Bonds5

About N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride

N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride (PubChem CID 119565508) has the molecular formula C21H25Cl2N5O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
PubChem CID119565508
Molecular FormulaC21H25Cl2N5O2
Molecular Weight450.37 g/mol
Exact Mass449.14
IUPAC NameN-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)CCCC1
InChIInChI=1S/C21H23N5O2.2ClH/c22-12-21(8-1-2-9-21)26-20(28)14-4-3-5-16(10-14)25-19(27)15-6-7-17-18(11-15)24-13-23-17;;/h3-7,10-11,13H,1-2,8-9,12,22H2,(H,23,24)(H,25,27)(H,26,28);2*1H
InChIKeyIUEXVIISEOBPDD-UHFFFAOYSA-N
XLogP3.66
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119631600
N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119475237
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-[3-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119510692
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
CID 119567292
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
CID 116921281
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 120577421
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
CID 115701405

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride (CID 119565508) is N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride is Cl.Cl.NCC1(NC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)CCCC1.
What is the InChIKey of N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride?
The InChIKey is IUEXVIISEOBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.2ClH/c22-12-21(8-1-2-9-21)26-20(28)14-4-3-5-16(10-14)25-19(27)15-6-7-17-18(11-15)24-13-23-17;;/h3-7,10-11,13H,1-2,8-9,12,22H2,(H,23,24)(H,25,27)(H,26,28);2*1H.
What are the key properties of N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride?
N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride has a molecular weight of 450.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(aminomethyl)cyclopentyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119565508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).