1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea

C19H27N5O — CID 56793699

IUPAC1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea
SMILESO=C(NCCCc1nc2ccccc2[nH]1)NC1CCN(CC2CC2)C1
InChIInChI=1S/C19H27N5O/c25-19(21-15-9-11-24(13-15)12-14-7-8-14)20-10-3-6-18-22-16-4-1-2-5-17(16)23-18/h1-2,4-5,14-15H,3,6-13H2,(H,22,23)(H2,20,21,25)
InChIKeyVMNHUCZOOUPLRV-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.28
Rot. Bonds7

About 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea

1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea (PubChem CID 56793699) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea
PubChem CID56793699
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea
SMILESO=C(NCCCc1nc2ccccc2[nH]1)NC1CCN(CC2CC2)C1
InChIInChI=1S/C19H27N5O/c25-19(21-15-9-11-24(13-15)12-14-7-8-14)20-10-3-6-18-22-16-4-1-2-5-17(16)23-18/h1-2,4-5,14-15H,3,6-13H2,(H,22,23)(H2,20,21,25)
InChIKeyVMNHUCZOOUPLRV-UHFFFAOYSA-N
XLogP2.28
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 86813158
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
CID 71973726
1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
CID 56807296
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 86800699
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
1-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-benzylpiperidin-4-yl)-2-methylguanidine
CID 110986546
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
CID 126452336
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
(2R,3R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2,3-dimethylthiomorpholine-4-carboxamide
CID 95771576
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea (CID 56793699) is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea is O=C(NCCCc1nc2ccccc2[nH]1)NC1CCN(CC2CC2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea?
The InChIKey is VMNHUCZOOUPLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-19(21-15-9-11-24(13-15)12-14-7-8-14)20-10-3-6-18-22-16-4-1-2-5-17(16)23-18/h1-2,4-5,14-15H,3,6-13H2,(H,22,23)(H2,20,21,25).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea?
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea has a molecular weight of 341.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[1-(cyclopropylmethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 56793699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).