N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C22H25N5O2 — CID 119530413

IUPACN-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCCCN(C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)C1CCNC1
InChIInChI=1S/C22H25N5O2/c1-2-10-27(18-8-9-23-13-18)22(29)16-4-3-5-17(11-16)26-21(28)15-6-7-19-20(12-15)25-14-24-19/h3-7,11-12,14,18,23H,2,8-10,13H2,1H3,(H,24,25)(H,26,28)
InChIKeyZWARIFPRJIQWDH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.03
Rot. Bonds6

About N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide

N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 119530413) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID119530413
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCCCN(C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)C1CCNC1
InChIInChI=1S/C22H25N5O2/c1-2-10-27(18-8-9-23-13-18)22(29)16-4-3-5-17(11-16)26-21(28)15-6-7-19-20(12-15)25-14-24-19/h3-7,11-12,14,18,23H,2,8-10,13H2,1H3,(H,24,25)(H,26,28)
InChIKeyZWARIFPRJIQWDH-UHFFFAOYSA-N
XLogP3.03
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 54876843
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
N-[3-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119510692
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119532525
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031

Frequently Asked Questions

What is the IUPAC name of N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 119530413) is N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is CCCN(C(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)C1CCNC1.
What is the InChIKey of N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ZWARIFPRJIQWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-10-27(18-8-9-23-13-18)22(29)16-4-3-5-17(11-16)26-21(28)15-6-7-19-20(12-15)25-14-24-19/h3-7,11-12,14,18,23H,2,8-10,13H2,1H3,(H,24,25)(H,26,28).
What are the key properties of N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 119530413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).