N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

C19H29N5O2S — CID 18410311

IUPACN-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=S(=O)(C(c1ccc(NC2=NCCN2)cc1)C1CCNCC1)N1CCCC1
InChIInChI=1S/C19H29N5O2S/c25-27(26,24-13-1-2-14-24)18(16-7-9-20-10-8-16)15-3-5-17(6-4-15)23-19-21-11-12-22-19/h3-6,16,18,20H,1-2,7-14H2,(H2,21,22,23)
InChIKeyBYHKOJFOSAUQLC-UHFFFAOYSA-N
MW391.54 g/mol
LogP1.52
Rot. Bonds5

About N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 18410311) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID18410311
Molecular FormulaC19H29N5O2S
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC NameN-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=S(=O)(C(c1ccc(NC2=NCCN2)cc1)C1CCNCC1)N1CCCC1
InChIInChI=1S/C19H29N5O2S/c25-27(26,24-13-1-2-14-24)18(16-7-9-20-10-8-16)15-3-5-17(6-4-15)23-19-21-11-12-22-19/h3-6,16,18,20H,1-2,7-14H2,(H2,21,22,23)
InChIKeyBYHKOJFOSAUQLC-UHFFFAOYSA-N
XLogP1.52
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-cyclohexyl(phenyl)methyl]sulfonylpiperidine
CID 92524259
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide
CID 22246022
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
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1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880352
1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine
CID 18379887
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44550829
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
CID 122189110
1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one
CID 18470010
N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide
CID 11346205
phenyl(piperidin-4-yl)methanesulfonamide
CID 91511350
4-(2,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
CID 10181457

Frequently Asked Questions

What is the IUPAC name of N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 18410311) is N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is O=S(=O)(C(c1ccc(NC2=NCCN2)cc1)C1CCNCC1)N1CCCC1.
What is the InChIKey of N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BYHKOJFOSAUQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c25-27(26,24-13-1-2-14-24)18(16-7-9-20-10-8-16)15-3-5-17(6-4-15)23-19-21-11-12-22-19/h3-6,16,18,20H,1-2,7-14H2,(H2,21,22,23).
What are the key properties of N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 391.54 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[piperidin-4-yl(pyrrolidin-1-ylsulfonyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 18410311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).