[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone

C15H19ClN4O — CID 22493345

IUPAC[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1NCC1=NCCN1)N1CCCC1
InChIInChI=1S/C15H19ClN4O/c16-11-3-4-12(15(21)20-7-1-2-8-20)13(9-11)19-10-14-17-5-6-18-14/h3-4,9,19H,1-2,5-8,10H2,(H,17,18)
InChIKeyZBMGQTYQWBQYKN-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.99
Rot. Bonds4

About [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone

[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 22493345) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID22493345
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)cc1NCC1=NCCN1)N1CCCC1
InChIInChI=1S/C15H19ClN4O/c16-11-3-4-12(15(21)20-7-1-2-8-20)13(9-11)19-10-14-17-5-6-18-14/h3-4,9,19H,1-2,5-8,10H2,(H,17,18)
InChIKeyZBMGQTYQWBQYKN-UHFFFAOYSA-N
XLogP1.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 22493321
[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone
CID 22493423
[4-chloro-2-[(3-methylphenyl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 52703546
[4-chloro-2-(5-hydroxypentylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 111770354
[4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 60536231
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112832788
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 55766563
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone (CID 22493345) is [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(Cl)cc1NCC1=NCCN1)N1CCCC1.
What is the InChIKey of [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZBMGQTYQWBQYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-11-3-4-12(15(21)20-7-1-2-8-20)13(9-11)19-10-14-17-5-6-18-14/h3-4,9,19H,1-2,5-8,10H2,(H,17,18).
What are the key properties of [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 306.80 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22493345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).